Positions and magnetic moments of all atoms in unit cell, with magnetic moment relations explicitly given:
Magnetic atoms:
Set of atoms in the unit cell related by symmetry with the magnetic atom Mn1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.22222 | 0.11111 | 0.25000 | mx,2mx,0 | 0.68000 | 1.36000 | 0.00000 |
2 | 0.55556 | 0.44444 | 0.25000 | -2mx,-mx,0 | -1.36000 | -0.68000 | 0.00000 |
3 | 0.22222 | 0.44445 | 0.25000 | mx,-mx,0 | 0.68000 | -0.68000 | 0.00000 |
4 | 0.44445 | 0.55556 | 0.75000 | mx,2mx,0 | 0.68000 | 1.36000 | 0.00000 |
5 | 0.11111 | 0.22222 | 0.75000 | -2mx,-mx,0 | -1.36000 | -0.68000 | 0.00000 |
6 | 0.44444 | 0.22222 | 0.75000 | mx,-mx,0 | 0.68000 | -0.68000 | 0.00000 |
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7 | 0.55555 | 0.77778 | 0.25000 | mx,2mx,0 | 0.68000 | 1.36000 | 0.00000 |
8 | 0.88889 | 0.11111 | 0.25000 | -2mx,-mx,0 | -1.36000 | -0.68000 | 0.00000 |
9 | 0.55556 | 0.11111 | 0.25000 | mx,-mx,0 | 0.68000 | -0.68000 | 0.00000 |
10 | 0.77778 | 0.22222 | 0.75000 | mx,2mx,0 | 0.68000 | 1.36000 | 0.00000 |
11 | 0.44444 | 0.88889 | 0.75000 | -2mx,-mx,0 | -1.36000 | -0.68000 | 0.00000 |
12 | 0.77778 | 0.88889 | 0.75000 | mx,-mx,0 | 0.68000 | -0.68000 | 0.00000 |
(2/3,1/3,0) + set click here to show and hide |
13 | 0.88889 | 0.44444 | 0.25000 | mx,2mx,0 | 0.68000 | 1.36000 | 0.00000 |
14 | 0.22222 | 0.77778 | 0.25000 | -2mx,-mx,0 | -1.36000 | -0.68000 | 0.00000 |
15 | 0.88889 | 0.77778 | 0.25000 | mx,-mx,0 | 0.68000 | -0.68000 | 0.00000 |
16 | 0.11111 | 0.88889 | 0.75000 | mx,2mx,0 | 0.68000 | 1.36000 | 0.00000 |
17 | 0.77778 | 0.55556 | 0.75000 | -2mx,-mx,0 | -1.36000 | -0.68000 | 0.00000 |
18 | 0.11111 | 0.55555 | 0.75000 | mx,-mx,0 | 0.68000 | -0.68000 | 0.00000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Li1:
Atom | x | y | z |
1 | 0.11111 | 0.22222 | 0.05680 |
2 | 0.44445 | 0.22222 | 0.05680 |
3 | 0.44444 | 0.55556 | 0.05680 |
4 | 0.11111 | 0.22222 | 0.44320 |
5 | 0.44444 | 0.22222 | 0.44320 |
6 | 0.44445 | 0.55556 | 0.44320 |
7 | 0.55556 | 0.44445 | 0.94320 |
8 | 0.22222 | 0.44444 | 0.94320 |
9 | 0.22222 | 0.11111 | 0.94320 |
10 | 0.55556 | 0.44444 | 0.55680 |
11 | 0.22222 | 0.44445 | 0.55680 |
12 | 0.22222 | 0.11111 | 0.55680 |
(1/3,2/3,0) + set click here to show and hide |
13 | 0.44444 | 0.88889 | 0.05680 |
14 | 0.77778 | 0.88889 | 0.05680 |
15 | 0.77778 | 0.22222 | 0.05680 |
16 | 0.44444 | 0.88889 | 0.44320 |
17 | 0.77778 | 0.88889 | 0.44320 |
18 | 0.77778 | 0.22222 | 0.44320 |
19 | 0.88889 | 0.11111 | 0.94320 |
20 | 0.55555 | 0.11111 | 0.94320 |
21 | 0.55556 | 0.77778 | 0.94320 |
22 | 0.88889 | 0.11111 | 0.55680 |
23 | 0.55556 | 0.11111 | 0.55680 |
24 | 0.55555 | 0.77778 | 0.55680 |
(2/3,1/3,0) + set click here to show and hide |
25 | 0.77778 | 0.55555 | 0.05680 |
26 | 0.11111 | 0.55556 | 0.05680 |
27 | 0.11111 | 0.88889 | 0.05680 |
28 | 0.77778 | 0.55556 | 0.44320 |
29 | 0.11111 | 0.55555 | 0.44320 |
30 | 0.11111 | 0.88889 | 0.44320 |
31 | 0.22222 | 0.77778 | 0.94320 |
32 | 0.88889 | 0.77778 | 0.94320 |
33 | 0.88889 | 0.44444 | 0.94320 |
34 | 0.22222 | 0.77778 | 0.55680 |
35 | 0.88889 | 0.77778 | 0.55680 |
36 | 0.88889 | 0.44444 | 0.55680 |
Set of atoms in the unit cell related by symmetry with the atom Te1_1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.25000 |
2 | 0.00000 | 0.33333 | 0.25000 |
3 | 0.66667 | 0.66667 | 0.75000 |
4 | 0.66667 | 0.33333 | 0.75000 |
(1/3,2/3,0) + set click here to show and hide |
5 | 0.33333 | 0.66667 | 0.25000 |
6 | 0.33333 | 0.00000 | 0.25000 |
7 | 0.00000 | 0.33333 | 0.75000 |
8 | 0.00000 | 0.00000 | 0.75000 |
(2/3,1/3,0) + set click here to show and hide |
9 | 0.66667 | 0.33333 | 0.25000 |
10 | 0.66667 | 0.66667 | 0.25000 |
11 | 0.33333 | 0.00000 | 0.75000 |
12 | 0.33333 | 0.66667 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom Te1_2:
Atom | x | y | z |
1 | 0.00000 | 0.66667 | 0.25000 |
2 | 0.66667 | 0.00000 | 0.75000 |
(1/3,2/3,0) + set click here to show and hide |
3 | 0.33333 | 0.33334 | 0.25000 |
4 | 0.00000 | 0.66667 | 0.75000 |
(2/3,1/3,0) + set click here to show and hide |
5 | 0.66667 | 0.00000 | 0.25000 |
6 | 0.33333 | 0.33333 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom O1_1:
Atom | x | y | z |
1 | 0.01523 | 0.23323 | 0.63640 |
2 | 0.43344 | 0.11533 | 0.63640 |
3 | 0.55133 | 0.65144 | 0.63640 |
4 | 0.01523 | 0.11533 | 0.86360 |
5 | 0.55133 | 0.23323 | 0.86360 |
6 | 0.43344 | 0.65144 | 0.86360 |
7 | 0.65144 | 0.43344 | 0.36360 |
8 | 0.23323 | 0.55133 | 0.36360 |
9 | 0.11533 | 0.01523 | 0.36360 |
10 | 0.65144 | 0.55133 | 0.13640 |
11 | 0.11533 | 0.43344 | 0.13640 |
12 | 0.23323 | 0.01523 | 0.13640 |
(1/3,2/3,0) + set click here to show and hide |
13 | 0.34856 | 0.89990 | 0.63640 |
14 | 0.76677 | 0.78200 | 0.63640 |
15 | 0.88467 | 0.31810 | 0.63640 |
16 | 0.34856 | 0.78200 | 0.86360 |
17 | 0.88467 | 0.89990 | 0.86360 |
18 | 0.76677 | 0.31810 | 0.86360 |
19 | 0.98477 | 0.10010 | 0.36360 |
20 | 0.56656 | 0.21800 | 0.36360 |
21 | 0.44867 | 0.68190 | 0.36360 |
22 | 0.98477 | 0.21800 | 0.13640 |
23 | 0.44867 | 0.10010 | 0.13640 |
24 | 0.56656 | 0.68190 | 0.13640 |
(2/3,1/3,0) + set click here to show and hide |
25 | 0.68190 | 0.56656 | 0.63640 |
26 | 0.10010 | 0.44867 | 0.63640 |
27 | 0.21800 | 0.98477 | 0.63640 |
28 | 0.68190 | 0.44867 | 0.86360 |
29 | 0.21800 | 0.56656 | 0.86360 |
30 | 0.10010 | 0.98477 | 0.86360 |
31 | 0.31810 | 0.76677 | 0.36360 |
32 | 0.89990 | 0.88467 | 0.36360 |
33 | 0.78200 | 0.34856 | 0.36360 |
34 | 0.31810 | 0.88467 | 0.13640 |
35 | 0.78200 | 0.76677 | 0.13640 |
36 | 0.89990 | 0.34856 | 0.13640 |
Set of atoms in the unit cell related by symmetry with the atom O1_2:
Atom | x | y | z |
1 | 0.76677 | 0.98477 | 0.86360 |
2 | 0.68190 | 0.11533 | 0.86360 |
3 | 0.55133 | 0.89990 | 0.86360 |
4 | 0.76677 | 0.11533 | 0.63640 |
5 | 0.55133 | 0.98477 | 0.63640 |
6 | 0.68190 | 0.89990 | 0.63640 |
7 | 0.89990 | 0.68190 | 0.13640 |
8 | 0.98477 | 0.55133 | 0.13640 |
9 | 0.11533 | 0.76677 | 0.13640 |
10 | 0.89990 | 0.55133 | 0.36360 |
11 | 0.11533 | 0.68190 | 0.36360 |
12 | 0.98477 | 0.76677 | 0.36360 |
(1/3,2/3,0) + set click here to show and hide |
13 | 0.10010 | 0.65144 | 0.86360 |
14 | 0.01523 | 0.78200 | 0.86360 |
15 | 0.88467 | 0.56656 | 0.86360 |
16 | 0.10010 | 0.78200 | 0.63640 |
17 | 0.88467 | 0.65144 | 0.63640 |
18 | 0.01523 | 0.56656 | 0.63640 |
19 | 0.23323 | 0.34856 | 0.13640 |
20 | 0.31810 | 0.21800 | 0.13640 |
21 | 0.44867 | 0.43344 | 0.13640 |
22 | 0.23323 | 0.21800 | 0.36360 |
23 | 0.44867 | 0.34856 | 0.36360 |
24 | 0.31810 | 0.43344 | 0.36360 |
(2/3,1/3,0) + set click here to show and hide |
25 | 0.43344 | 0.31810 | 0.86360 |
26 | 0.34856 | 0.44867 | 0.86360 |
27 | 0.21800 | 0.23323 | 0.86360 |
28 | 0.43344 | 0.44867 | 0.63640 |
29 | 0.21800 | 0.31810 | 0.63640 |
30 | 0.34856 | 0.23323 | 0.63640 |
31 | 0.56656 | 0.01523 | 0.13640 |
32 | 0.65144 | 0.88467 | 0.13640 |
33 | 0.78200 | 0.10010 | 0.13640 |
34 | 0.56656 | 0.88467 | 0.36360 |
35 | 0.78200 | 0.01523 | 0.36360 |
36 | 0.65144 | 0.10010 | 0.36360 |
Set of atoms in the unit cell related by symmetry with the atom O1_3:
Atom | x | y | z |
1 | 0.01523 | 0.89990 | 0.63640 |
2 | 0.76677 | 0.44866 | 0.63640 |
3 | 0.21800 | 0.65144 | 0.63640 |
4 | 0.01523 | 0.44866 | 0.86360 |
5 | 0.21800 | 0.89990 | 0.86360 |
6 | 0.76677 | 0.65144 | 0.86360 |
7 | 0.65144 | 0.76677 | 0.36360 |
8 | 0.89990 | 0.21800 | 0.36360 |
9 | 0.44866 | 0.01523 | 0.36360 |
10 | 0.65144 | 0.21800 | 0.13640 |
11 | 0.44866 | 0.76677 | 0.13640 |
12 | 0.89990 | 0.01523 | 0.13640 |
(1/3,2/3,0) + set click here to show and hide |
13 | 0.34856 | 0.56657 | 0.63640 |
14 | 0.10010 | 0.11533 | 0.63640 |
15 | 0.55134 | 0.31810 | 0.63640 |
16 | 0.34856 | 0.11533 | 0.86360 |
17 | 0.55134 | 0.56657 | 0.86360 |
18 | 0.10010 | 0.31810 | 0.86360 |
19 | 0.98477 | 0.43343 | 0.36360 |
20 | 0.23323 | 0.88467 | 0.36360 |
21 | 0.78200 | 0.68190 | 0.36360 |
22 | 0.98477 | 0.88467 | 0.13640 |
23 | 0.78200 | 0.43343 | 0.13640 |
24 | 0.23323 | 0.68190 | 0.13640 |
(2/3,1/3,0) + set click here to show and hide |
25 | 0.68190 | 0.23323 | 0.63640 |
26 | 0.43343 | 0.78200 | 0.63640 |
27 | 0.88467 | 0.98477 | 0.63640 |
28 | 0.68190 | 0.78200 | 0.86360 |
29 | 0.88467 | 0.23323 | 0.86360 |
30 | 0.43343 | 0.98477 | 0.86360 |
31 | 0.31810 | 0.10010 | 0.36360 |
32 | 0.56657 | 0.55134 | 0.36360 |
33 | 0.11533 | 0.34856 | 0.36360 |
34 | 0.31810 | 0.55134 | 0.13640 |
35 | 0.11533 | 0.10010 | 0.13640 |
36 | 0.56657 | 0.34856 | 0.13640 |
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